4-(cyclobutylmethylamino)-2-methylbutan-2-ol

C10H21NO — CID 79359922

IUPAC4-(cyclobutylmethylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCC1CCC1
InChIInChI=1S/C10H21NO/c1-10(2,12)6-7-11-8-9-4-3-5-9/h9,11-12H,3-8H2,1-2H3
InChIKeyZAMDFSJDIYTJTH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds5

About 4-(cyclobutylmethylamino)-2-methylbutan-2-ol

4-(cyclobutylmethylamino)-2-methylbutan-2-ol (PubChem CID 79359922) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(cyclobutylmethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(cyclobutylmethylamino)-2-methylbutan-2-ol
PubChem CID79359922
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(cyclobutylmethylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCC1CCC1
InChIInChI=1S/C10H21NO/c1-10(2,12)6-7-11-8-9-4-3-5-9/h9,11-12H,3-8H2,1-2H3
InChIKeyZAMDFSJDIYTJTH-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
1-[2-(cyclohexylmethylamino)ethylsulfanyl]-2-methylpropan-2-ol
CID 115756854
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
4-(cyclopentylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062172
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
CID 142934377
2-tert-butyl-N-(cyclobutylmethyl)-3,3-dimethylbutanamide
CID 146286386
4-(cyclobutylmethylamino)butan-2-one
CID 115235753

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(cyclobutylmethylamino)-2-methylbutan-2-ol (CID 79359922) is 4-(cyclobutylmethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(cyclobutylmethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(cyclobutylmethylamino)-2-methylbutan-2-ol is CC(C)(O)CCNCC1CCC1.
What is the InChIKey of 4-(cyclobutylmethylamino)-2-methylbutan-2-ol?
The InChIKey is ZAMDFSJDIYTJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,12)6-7-11-8-9-4-3-5-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 4-(cyclobutylmethylamino)-2-methylbutan-2-ol?
4-(cyclobutylmethylamino)-2-methylbutan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 79359922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).